General Information of the Compound
| Compound ID |
CP0042680
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| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]isoquinoline-5-carboxamide
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| Structure |
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| Formula |
C17H16N4O2
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| Molecular Weight |
308.341
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| Canonical SMILES |
O=C(CNC(=O)c1cccc2cnccc12)N1CCC[C@H]1C#N
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| InChI |
InChI=1S/C17H16N4O2/c18-9-13-4-2-8-21(13)16(22)11-20-17(23)15-5-1-3-12-10-19-7-6-14(12)15/h1,3,5-7,10,13H,2,4,8,11H2,(H,20,23)/t13-/m0/s1
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| InChIKey |
DSIXHJMXKMIOFX-ZDUSSCGKSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound